| Year |
Citation |
Score |
| 2019 |
Liu H, Seifert G, Di Valentin C. An efficient way to model complex magnetite: Assessment of SCC-DFTB against DFT. The Journal of Chemical Physics. 150: 094703. PMID 30849917 DOI: 10.1063/1.5085190 |
0.364 |
|
| 2019 |
Norton K, Kunstmann J, Ping L, Rakowski A, Wang C, Marsden AJ, Murtaza G, Zeng N, McAdams SJ, Bissett MA, Haigh SJ, Derby B, Seifert G, Lewis DJ. Synthetic 2-D lead tin sulfide nanosheets with tuneable optoelectronic properties from a potentially scalable reaction pathway. Chemical Science. 10: 1035-1045. PMID 30774899 DOI: 10.1039/C8Sc04018D |
0.341 |
|
| 2019 |
Zhang D, Zhao X, Seifert G, Tse K, Zhu J. Twist-driven separation of p-type and n-type dopants in single-crystalline nanowires National Science Review. 6: 532-539. DOI: 10.1093/Nsr/Nwz014 |
0.302 |
|
| 2019 |
Raychev D, Méndez López RD, Kiriy A, Seifert G, Sommer J, Guskova O. Copolymers of Diketopyrrolopyrrole and Benzothiadiazole: Design and Function from Simulations with Experimental Support Macromolecules. 52: 904-914. DOI: 10.1021/Acs.Macromol.8B02500 |
0.307 |
|
| 2018 |
Raychev D, Seifert G, Sommer JU, Guskova O. A comparative analysis of symmetric diketopyrrolopyrrole-cored small conjugated molecules with aromatic flanks: From geometry to charge transport. Journal of Computational Chemistry. PMID 30306613 DOI: 10.1002/Jcc.25609 |
0.368 |
|
| 2018 |
Kunstmann J, Mooshammer F, Nagler P, Chaves A, Stein F, Paradiso N, Plechinger G, Strunk C, Schüller C, Seifert G, Reichman DR, Korn T. Momentum-space indirect interlayer excitons in transition-metal dichalcogenide van der Waals heterostructures Nature Physics. 14: 801-805. DOI: 10.1038/S41567-018-0123-Y |
0.32 |
|
| 2018 |
Teich D, Claus M, Seifert G. On the electronic and transport properties of semiconducting carbon nanotubes: the role of
$$\hbox {sp}^3$$
sp
3
-defects Journal of Computational Electronics. 17: 521-530. DOI: 10.1007/S10825-018-1135-7 |
0.357 |
|
| 2017 |
Förster A, Gemming S, Seifert G, Tomanek D. Chemical and Electronic Repair Mechanism of Defects in MoS2 Monolayers. Acs Nano. PMID 28915006 DOI: 10.1021/Acsnano.7B04162 |
0.389 |
|
| 2017 |
Selli D, Fazio G, Seifert G, Di Valentin C. Water multilayers on TiO2 (101) anatase surface: Assessment of a DFTB-based method. Journal of Chemical Theory and Computation. PMID 28679048 DOI: 10.1021/Acs.Jctc.7B00479 |
0.327 |
|
| 2017 |
Trepte K, Schaber J, Schwalbe S, Drache F, Senkovska I, Kaskel S, Kortus J, Brunner E, Seifert G. The origin of the measured chemical shift of (129)Xe in UiO-66 and UiO-67 revealed by DFT investigations. Physical Chemistry Chemical Physics : Pccp. PMID 28362453 DOI: 10.1039/C7Cp00852J |
0.344 |
|
| 2017 |
Lu C, Tranca DC, Zhang J, Rodriguez-Hernandez F, Su Y, Zhuang X, Zhang F, Seifert G, Feng X. Molybdenum Carbide-Embedded Nitrogen-Doped Porous Carbon Nanosheets as Electrocatalysts for Water Splitting in Alkaline Media. Acs Nano. PMID 28291319 DOI: 10.1021/Acsnano.7B00365 |
0.308 |
|
| 2017 |
Karpov Y, Erdmann T, Stamm M, Lappan U, Guskova O, Malanin M, Raguzin I, Beryozkina T, Bakulev V, Günther F, Gemming S, Seifert G, Hambsch M, Mannsfeld S, Voit B, et al. Molecular Doping of a High Mobility Diketopyrrolopyrrole–Dithienylthieno[3,2-b]thiophene Donor–Acceptor Copolymer with F6TCNNQ Macromolecules. 50: 914-926. DOI: 10.1021/Acs.Macromol.6B02452 |
0.316 |
|
| 2017 |
Raychev D, Guskova O, Seifert G, Sommer J. Conformational and electronic properties of small benzothiadiazole-cored oligomers with aryl flanking units: Thiophene versus Furan Computational Materials Science. 126: 287-298. DOI: 10.1016/J.Commatsci.2016.09.044 |
0.38 |
|
| 2017 |
Lorenz T, Baburin IA, Joswig J, Seifert G. Charge Transfer Variability in Misfit Layer Compounds: Comparison of SnS-SnS2and LaS-TaS2 Israel Journal of Chemistry. 57: 553-559. DOI: 10.1002/Ijch.201600148 |
0.31 |
|
| 2016 |
Sahabudeen H, Qi H, Glatz BA, Tranca D, Dong R, Hou Y, Zhang T, Kuttner C, Lehnert T, Seifert G, Kaiser U, Fery A, Zheng Z, Feng X. Wafer-sized multifunctional polyimine-based two-dimensional conjugated polymers with high mechanical stiffness. Nature Communications. 7: 13461. PMID 27849053 DOI: 10.1038/Ncomms13461 |
0.334 |
|
| 2016 |
Karpov Y, Erdmann T, Raguzin I, Al-Hussein M, Binner M, Lappan U, Stamm M, Gerasimov KL, Beryozkina T, Bakulev V, Anokhin DV, Ivanov DA, Günther F, Gemming S, Seifert G, et al. High Conductivity in Molecularly p-Doped Diketopyrrolopyrrole-Based Polymer: The Impact of a High Dopant Strength and Good Structural Order. Advanced Materials (Deerfield Beach, Fla.). PMID 27172371 DOI: 10.1002/Adma.201506295 |
0.304 |
|
| 2016 |
Fediai A, Ryndyk DA, Seifert G, Mothes S, Claus M, Schröter M, Cuniberti G. Towards an optimal contact metal for CNTFETs. Nanoscale. PMID 27124382 DOI: 10.1039/C6Nr01012A |
0.314 |
|
| 2016 |
Schwalbe S, Trepte K, Seifert G, Kortus J. Screening for high-spin metal organic frameworks (MOFs): density functional theory study on DUT-8(M1,M2) (with Mi = V,…,Cu). Physical Chemistry Chemical Physics : Pccp. PMID 26922864 DOI: 10.1039/C5Cp07662E |
0.319 |
|
| 2016 |
Tranca DC, Seifert G. A First-Principles Study of Metal-Decorated Graphene Nanoribbons for Hydrogen Storage Zeitschrift FüR Physikalische Chemie. 230. DOI: 10.1515/Zpch-2015-0742 |
0.334 |
|
| 2016 |
Fediai A, Ryndyk DA, Seifert G, Mothes S, Schroter M, Claus M, Cuniberti G. Impact of incomplete metal coverage on the electrical properties of metal-CNT contacts: A large-scale ab initio study Applied Physics Letters. 109: 103101. DOI: 10.1063/1.4962439 |
0.343 |
|
| 2016 |
Medrano Sandonas L, Teich D, Gutierrez R, Lorenz T, Pecchia A, Seifert G, Cuniberti G. Anisotropic Thermoelectric Response in Two-Dimensional Puckered Structures The Journal of Physical Chemistry C. 120: 18841-18849. DOI: 10.1021/Acs.Jpcc.6B04969 |
0.347 |
|
| 2016 |
Günther F, Gemming S, Seifert G. Hopping-Based Charge Transfer in Diketopyrrolopyrrole-Based Donor–Acceptor Polymers: A Theoretical Study The Journal of Physical Chemistry C. 120: 9581-9587. DOI: 10.1021/Acs.Jpcc.6B01310 |
0.33 |
|
| 2016 |
Rodríguez-Hernández F, Tranca DC, Szyja BM, Van Santen RA, Martínez-Mesa A, Uranga-Piña L, Seifert G. Water Splitting on TiO2-Based Electrochemical Cells: A Small Cluster Study Journal of Physical Chemistry C. 120: 437-449. DOI: 10.1021/Acs.Jpcc.5B10894 |
0.316 |
|
| 2016 |
Kunstmann J, Wendumu TB, Seifert G. Localized defect states in MoS2monolayers: Electronic and optical properties Physica Status Solidi (B). 254: 1600645. DOI: 10.1002/Pssb.201600645 |
0.31 |
|
| 2015 |
Levi R, Garel J, Teich D, Seifert G, Tenne R, Joselevich E. Nanotube Electromechanics beyond Carbon: The Case of WS2. Acs Nano. PMID 26451698 DOI: 10.1021/Acsnano.5B05468 |
0.331 |
|
| 2015 |
Kvashnin DG, Sorokin PB, Seifert G, Chernozatonskii LA. MoS2 decoration by Mo-atoms and the MoS2-Mo-graphene heterostructure: a theoretical study. Physical Chemistry Chemical Physics : Pccp. 17: 28770-3. PMID 26446929 DOI: 10.1039/C5Cp04286K |
0.332 |
|
| 2015 |
Brent JR, Lewis DJ, Lorenz T, Lewis EA, Savjani N, Haigh SJ, Seifert G, Derby B, O'Brien P. Tin(II) Sulfide (SnS) Nanosheets by Liquid-Phase Exfoliation of Herzenbergite: IV-VI Main Group Two-Dimensional Atomic Crystals. Journal of the American Chemical Society. 137: 12689-96. PMID 26352047 DOI: 10.1021/Jacs.5B08236 |
0.35 |
|
| 2015 |
Trepte K, Schwalbe S, Seifert G. Electronic and magnetic properties of DUT-8(Ni). Physical Chemistry Chemical Physics : Pccp. 17: 17122-9. PMID 26067446 DOI: 10.1039/C5Cp01881A |
0.324 |
|
| 2015 |
Joswig JO, Lorenz T, Wendumu TB, Gemming S, Seifert G. Optics, mechanics, and energetics of two-dimensional MoS2 nanostructures from a theoretical perspective. Accounts of Chemical Research. 48: 48-55. PMID 25489859 DOI: 10.1021/Ar500318P |
0.422 |
|
| 2015 |
Craco L, Selli D, Seifert G, Leoni S. Revealing the hidden correlated electronic structure of strained graphene Physical Review B - Condensed Matter and Materials Physics. 91. DOI: 10.1103/Physrevb.91.205120 |
0.342 |
|
| 2015 |
Radovsky G, Popovitz-Biro R, Lorenz T, Joswig JO, Seifert G, Houben L, Dunin-Borkowski RE, Tenne R. Tubular structures from the LnS-TaS2 (Ln = La, Ce, Nd, Ho, Er) and LaSe-TaSe2 misfit layered compounds Journal of Materials Chemistry C. 4: 89-93. DOI: 10.1039/C5Tc02983J |
0.335 |
|
| 2015 |
Mercier G, Klechikov A, Hedenström M, Johnels D, Baburin IA, Seifert G, Mysyk R, Talyzin AV. Porous Graphene Oxide/Diboronic Acid Materials: Structure and Hydrogen Sorption Journal of Physical Chemistry C. 119: 27179-27191. DOI: 10.1021/Acs.Jpcc.5B06402 |
0.302 |
|
| 2014 |
Wendumu TB, Seifert G, Lorenz T, Joswig JO, Enyashin A. Optical Properties of Triangular Molybdenum Disulfide Nanoflakes. The Journal of Physical Chemistry Letters. 5: 3636-40. PMID 26278731 DOI: 10.1021/Jz501604J |
0.302 |
|
| 2014 |
Lorenz T, Joswig JO, Seifert G. Two-dimensional and tubular structures of misfit compounds: Structural and electronic properties. Beilstein Journal of Nanotechnology. 5: 2171-8. PMID 25551045 DOI: 10.3762/Bjnano.5.226 |
0.324 |
|
| 2014 |
Lorenz T, Ghorbani-Asl M, Joswig JO, Heine T, Seifert G. Is MoS₂ a robust material for 2D electronics? Nanotechnology. 25: 445201. PMID 25313150 DOI: 10.1088/0957-4484/25/44/445201 |
0.55 |
|
| 2014 |
Elstner M, Seifert G. Density functional tight binding. Philosophical Transactions. Series a, Mathematical, Physical, and Engineering Sciences. 372: 20120483. PMID 24516180 DOI: 10.1098/Rsta.2012.0483 |
0.351 |
|
| 2014 |
Brüser V, Popovitz-Biro R, Albu-Yaron A, Lorenz T, Seifert G, Tenne R, Zak A. Single- to Triple-Wall WS2 Nanotubes Obtained by High-Power Plasma Ablation of WS2 Multiwall Nanotubes Inorganics. 2: 177-190. DOI: 10.3390/Inorganics2020177 |
0.343 |
|
| 2014 |
Lorenz T, Joswig JO, Seifert G. Combined SnS@SnS2 double layers: Charge transfer and electronic structure Semiconductor Science and Technology. 29. DOI: 10.1088/0268-1242/29/6/064006 |
0.355 |
|
| 2014 |
Eisbein E, Joswig JO, Seifert G. Proton conduction in a MIL-53(Al) metal-organic framework: Confinement versus host/guest interaction Journal of Physical Chemistry C. 118: 13035-13041. DOI: 10.1021/Jp5043969 |
0.314 |
|
| 2014 |
Warmbier R, Quandt A, Seifert G. Dielectric properties of selected metal-organic frameworks Journal of Physical Chemistry C. 118: 11799-11805. DOI: 10.1021/Jp5029646 |
0.353 |
|
| 2014 |
Eisbein E, Joswig JO, Seifert G. Enhanced proton-transfer activity in imidazole@MIL-53(Al) systems revealed by molecular-dynamics simulations Microporous and Mesoporous Materials. DOI: 10.1016/J.Micromeso.2015.03.022 |
0.317 |
|
| 2014 |
Kunze T, Posselt M, Gemming S, Seifert G, Konicek AR, Carpick RW, Pastewka L, Moseler M. Wear, plasticity, and rehybridization in tetrahedral amorphous carbon Tribology Letters. 53: 119-126. DOI: 10.1007/S11249-013-0250-7 |
0.317 |
|
| 2013 |
Scholz R, Luschtinetz R, Seifert G, Jägeler-Hoheisel T, Körner C, Leo K, Rapacioli M. Quantifying charge transfer energies at donor-acceptor interfaces in small-molecule solar cells with constrained DFTB and spectroscopic methods. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 25: 473201. PMID 24135026 DOI: 10.1088/0953-8984/25/47/473201 |
0.329 |
|
| 2013 |
Selli D, Baburin I, Leoni S, Zhu Z, Tománek D, Seifert G. Theoretical investigation of the electronic structure and quantum transport in the graphene-C(111) diamond surface system. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 25: 435302. PMID 24096938 DOI: 10.1088/0953-8984/25/43/435302 |
0.348 |
|
| 2013 |
Tayran C, Zhu Z, Baldoni M, Selli D, Seifert G, Tománek D. Optimizing electronic structure and quantum transport at the graphene-Si(111) interface: an ab initio density-functional study. Physical Review Letters. 110: 176805. PMID 23679758 DOI: 10.1103/Physrevlett.110.176805 |
0.318 |
|
| 2013 |
Seifert G, Lorenz T, Joswig JO. Layered Nanostructures - Electronic and Mechanical Properties Materials Research Society Symposium Proceedings. 1549: 3-9. DOI: 10.1557/Opl.2013.858 |
0.307 |
|
| 2013 |
Ghorbani-Asl M, Enyashin AN, Kuc A, Seifert G, Heine T. Defect-induced conductivity anisotropy in MoS 2 monolayers Physical Review B - Condensed Matter and Materials Physics. 88. DOI: 10.1103/Physrevb.88.245440 |
0.522 |
|
| 2013 |
Fthenakis ZG, Zhu Z, Teich D, Seifert G, Tománek D. Limits of mechanical energy storage and structural changes in twisted carbon nanotube ropes Physical Review B - Condensed Matter and Materials Physics. 88. DOI: 10.1103/Physrevb.88.245402 |
0.355 |
|
| 2013 |
Baldoni M, Craco L, Seifert G, Leoni S. A two-electron mechanism of lithium insertion into layered α-MoO 3: A DFT and DFT+U study Journal of Materials Chemistry A. 1: 1778-1784. DOI: 10.1039/C2Ta00839D |
0.318 |
|
| 2013 |
Enyashin AN, Bar-Sadan M, Houben L, Seifert G. Line defects in molybdenum disulfide layers Journal of Physical Chemistry C. 117: 10842-10848. DOI: 10.1021/Jp403976D |
0.367 |
|
| 2013 |
Luschtinetz R, Seifert G. Theoretical studies on the structural and electronic properties of π-stacked cyano-thiophene-based molecules Computational and Theoretical Chemistry. 1023: 65-73. DOI: 10.1016/J.Comptc.2013.08.024 |
0.38 |
|
| 2013 |
Luschtinetz R, Gemming S, Seifert G. Theoretical study on the CH...NC hydrogen bond interaction in thiophene-based molecules Computational and Theoretical Chemistry. 1005: 45-52. DOI: 10.1016/J.Comptc.2012.11.005 |
0.328 |
|
| 2012 |
Teich D, Fthenakis ZG, Seifert G, Tománek D. Nanomechanical energy storage in twisted nanotube ropes. Physical Review Letters. 109: 255501. PMID 23368478 DOI: 10.1103/Physrevlett.109.255501 |
0.361 |
|
| 2012 |
Teich D, Seifert G, Iijima S, Tománek D. Helicity in ropes of chiral nanotubes: calculations and observation. Physical Review Letters. 108: 235501. PMID 23003969 DOI: 10.1103/Physrevlett.108.235501 |
0.349 |
|
| 2012 |
Debatin F, Behrens K, Weber J, Baburin IA, Thomas A, Schmidt J, Senkovska I, Kaskel S, Kelling A, Hedin N, Bacsik Z, Leoni S, Seifert G, Jäger C, Günter C, et al. An isoreticular family of microporous metal-organic frameworks based on zinc and 2-substituted imidazolate-4-amide-5-imidate: syntheses, structures and properties. Chemistry (Weinheim An Der Bergstrasse, Germany). 18: 11630-40. PMID 22865659 DOI: 10.1002/Chem.201200889 |
0.313 |
|
| 2012 |
Popov I, Seifert G, Tománek D. Designing electrical contacts to MoS2 monolayers: a computational study. Physical Review Letters. 108: 156802. PMID 22587274 DOI: 10.1103/Physrevlett.108.156802 |
0.359 |
|
| 2012 |
Erdogan E, Popov IH, Enyashin AN, Seifert G. Transport properties of MoS 2 nanoribbons: Edge priority European Physical Journal B. 85. DOI: 10.1140/Epjb/E2011-20456-7 |
0.361 |
|
| 2012 |
Selli D, Boulfelfel SE, Baburin IA, Seifert G, Leoni S. Framework reconstruction between hR8 and cI16 germaniums: A molecular dynamics study Rsc Advances. 2: 8833-8839. DOI: 10.1039/C2Ra20837G |
0.302 |
|
| 2012 |
Martínez-Mesa A, Zhechkov L, Yurchenko SN, Heine T, Seifert G, Rubayo-Soneira J. Hydrogen physisorption on carbon foams upon inclusion of many-body and quantum delocalization effects Journal of Physical Chemistry C. 116: 19543-19553. DOI: 10.1021/Jp305462W |
0.535 |
|
| 2012 |
Lorenz T, Teich D, Joswig JO, Seifert G. Theoretical study of the mechanical behavior of individual TiS 2 and MoS 2 nanotubes Journal of Physical Chemistry C. 116: 11714-11721. DOI: 10.1021/Jp300709W |
0.407 |
|
| 2012 |
Enyashin AN, Seifert G. Density-functional study of Li xMoS 2 intercalates (0≤x≤1) Computational and Theoretical Chemistry. 999: 13-20. DOI: 10.1016/J.Comptc.2012.08.005 |
0.307 |
|
| 2012 |
Seifert G, Joswig JO. Density-functional tight binding-an approximate density-functional theory method Wiley Interdisciplinary Reviews: Computational Molecular Science. 2: 456-465. DOI: 10.1002/Wcms.1094 |
0.353 |
|
| 2012 |
Lukose B, Supronowicz B, St. Petkov P, Frenzel J, Kuc AB, Seifert G, Vayssilov GN, Heine T. Structural properties of metal-organic frameworks within the density-functional based tight-binding method Physica Status Solidi (B) Basic Research. 249: 335-342. DOI: 10.1002/Pssb.201100634 |
0.785 |
|
| 2011 |
Martínez-Mesa A, Yurchenko SN, Patchkovskii S, Heine T, Seifert G. Influence of quantum effects on the physisorption of molecular hydrogen in model carbon foams. The Journal of Chemical Physics. 135: 214701. PMID 22149805 DOI: 10.1063/1.3664621 |
0.467 |
|
| 2011 |
Hoffmann HC, Assfour B, Epperlein F, Klein N, Paasch S, Senkovska I, Kaskel S, Seifert G, Brunner E. High-pressure in situ 129Xe NMR spectroscopy and computer simulations of breathing transitions in the metal-organic framework Ni2(2,6-ndc)2(dabco) (DUT-8(Ni)). Journal of the American Chemical Society. 133: 8681-90. PMID 21539397 DOI: 10.1021/Ja201951T |
0.323 |
|
| 2011 |
Assfour B, Leoni S, Seifert G, Baburin IA. Packings of carbon nanotubes--new materials for hydrogen storage. Advanced Materials (Deerfield Beach, Fla.). 23: 1237-41. PMID 21381121 DOI: 10.1002/Adma.201003669 |
0.331 |
|
| 2011 |
Albu-Yaron A, Levy M, Tenne R, Popovitz-Biro R, Weidenbach M, Bar-Sadan M, Houben L, Enyashin AN, Seifert G, Feuermann D, Katz EA, Gordon JM. MoS2 hybrid nanostructures: from octahedral to quasi-spherical shells within individual nanoparticles. Angewandte Chemie (International Ed. in English). 50: 1810-4. PMID 21328645 DOI: 10.1002/Anie.201006719 |
0.338 |
|
| 2011 |
Baburin IA, Assfour B, Seifert G, Leoni S. Polymorphs of lithium-boron imidazolates: energy landscape and hydrogen storage properties. Dalton Transactions (Cambridge, England : 2003). 40: 3796-8. PMID 21125132 DOI: 10.1039/C0Dt01441A |
0.347 |
|
| 2011 |
Kalfon-Cohen E, Goldbart O, Schreiber R, Cohen SR, Barlam D, Lorenz T, Enyashin A, Seifert G. Radial compression studies of WS2 nanotubes in the elastic regime Journal of Vacuum Science and Technology B:Nanotechnology and Microelectronics. 29. DOI: 10.1116/1.3549132 |
0.343 |
|
| 2011 |
Kalfon-Cohen E, Goldbart O, Schreiber R, Cohen SR, Barlam D, Lorenz T, Joswig JO, Seifert G. Experimental, finite element, and density-functional theory study of inorganic nanotube compression Applied Physics Letters. 98. DOI: 10.1063/1.3556679 |
0.368 |
|
| 2011 |
Enyashin AN, Yadgarov L, Houben L, Popov I, Weidenbach M, Tenne R, Bar-Sadan M, Seifert G. New route for stabilization of 1T-WS 2 and MoS 2 phases Journal of Physical Chemistry C. 115: 24586-24591. DOI: 10.1021/Jp2076325 |
0.341 |
|
| 2011 |
Teich D, Lorenz T, Joswig JO, Seifert G, Zhang DB, Dumitricã T. Structural and electronic properties of helical TiS2 nanotubes studied with objective molecular dynamics Journal of Physical Chemistry C. 115: 6392-6396. DOI: 10.1021/Jp200399P |
0.402 |
|
| 2011 |
Assfour B, Leoni S, Yurchenko S, Seifert G. Hydrogen storage in zeolite imidazolate frameworks. A multiscale theoretical investigation International Journal of Hydrogen Energy. 36: 6005-6013. DOI: 10.1016/J.Ijhydene.2011.02.044 |
0.321 |
|
| 2011 |
Krause M, Mücklich A, Zak A, Seifert G, Gemming S. High resolution TEM study of WS 2 nanotubes Physica Status Solidi (B) Basic Research. 248: 2716-2719. DOI: 10.1002/Pssb.201100076 |
0.322 |
|
| 2010 |
Zhang DB, Dumitric? T, Seifert G. Helical nanotube structures of MoS2 with intrinsic twisting: an objective molecular dynamics study. Physical Review Letters. 104: 065502. PMID 20366829 DOI: 10.1103/Physrevlett.104.065502 |
0.385 |
|
| 2010 |
Gemming S, Enyashin AN, Frenzel J, Seifert G. Adsorption of nucleotides on the rutile (110) surface International Journal of Materials Research. 101: 758-764. DOI: 10.3139/146.110337 |
0.356 |
|
| 2010 |
Xiao R, Fritsch D, Kuz'Min MD, Koepernik K, Richter M, Vietze K, Seifert G. Prediction of huge magnetic anisotropies of transition-metal dimer-benzene complexes from density functional theory calculations Physical Review B - Condensed Matter and Materials Physics. 82. DOI: 10.1103/Physrevb.82.205125 |
0.307 |
|
| 2010 |
Kuc A, Heine T, Seifert G. Structural and electronic properties of graphene nanoflakes Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/Physrevb.81.085430 |
0.472 |
|
| 2010 |
Rasche B, Seifert G, Enyashin A. Stability and electronic properties of bismuth nanotubes Journal of Physical Chemistry C. 114: 22092-22097. DOI: 10.1021/Jp1081565 |
0.398 |
|
| 2010 |
Guimarães L, Enyashin AN, Seifert G, Duarte HA. Structural, electronic, and mechanical properties of single-walled halloysite nanotube models Journal of Physical Chemistry C. 114: 11358-11363. DOI: 10.1021/Jp100902E |
0.425 |
|
| 2010 |
Assfour B, Seifert G. Adsorption of hydrogen in covalent organic frameworks: Comparison of simulations and experiments Microporous and Mesoporous Materials. 133: 59-65. DOI: 10.1016/J.Micromeso.2010.04.015 |
0.308 |
|
| 2010 |
Enyashin AN, Seifert G. Molecular-dynamics simulations of capillary imbibition of KI melt into MoS2 nanotubes Chemical Physics Letters. 501: 98-102. DOI: 10.1016/J.Cplett.2010.11.002 |
0.318 |
|
| 2010 |
Assfour B, Seifert G. Hydrogen adsorption sites and energies in 2D and 3D covalent organic frameworks Chemical Physics Letters. 489: 86-91. DOI: 10.1016/J.Cplett.2010.02.046 |
0.311 |
|
| 2010 |
Gemming S, Seifert G, Götz M, Fischer T, Ganteför G. Transition metal sulfide clusters below the cluster-platelet transition: Theory and experiment Physica Status Solidi (B) Basic Research. 247: 1069-1076. DOI: 10.1002/Pssb.200945480 |
0.334 |
|
| 2010 |
Hong SY, Kreizman R, Rosentsveig R, Zak A, Sloan J, Enyashin AN, Seifert G, Green MLH, Tenne R. One- and two-dimensional inorganic crystals inside inorganic nanotubes European Journal of Inorganic Chemistry. 4233-4243. DOI: 10.1002/Ejic.201000456 |
0.346 |
|
| 2010 |
Kreizman R, Enyashin AN, Deepak FL, Albu-Yaron A, Popovitz-Biro R, Seifert G, Tenne R. Synthesis of core-shell inorganic nanotubes Advanced Functional Materials. 20: 2459-2468. DOI: 10.1002/Adfm.201000490 |
0.356 |
|
| 2009 |
Xiao R, Fritsch D, Kuz'min MD, Koepernik K, Eschrig H, Richter M, Vietze K, Seifert G. Co dimers on hexagonal carbon rings proposed as subnanometer magnetic storage bits. Physical Review Letters. 103: 187201. PMID 19905826 DOI: 10.1103/Physrevlett.103.187201 |
0.369 |
|
| 2009 |
Riedl T, Gemming T, Weissbach T, Seifert G, Gutmann E, Zschornak M, Meyer DC, Gemming S. ELNES study of chemical solution deposited SrO(SrTiO(3))(n) Ruddlesden-Popper films: experiment and simulation. Ultramicroscopy. 110: 26-32. PMID 19818559 DOI: 10.1016/J.Ultramic.2009.09.001 |
0.355 |
|
| 2009 |
Rapacioli M, Spiegelman F, Talbi D, Mineva T, Goursot A, Heine T, Seifert G. Correction for dispersion and Coulombic interactions in molecular clusters with density functional derived methods: application to polycyclic aromatic hydrocarbon clusters. The Journal of Chemical Physics. 130: 244304. PMID 19566150 DOI: 10.1063/1.3152882 |
0.524 |
|
| 2009 |
Oliveira AF, Seifert G, Heine T, Duarte HA. Density-functional based tight-binding: An approximate DFT method Journal of the Brazilian Chemical Society. 20: 1193-1205. DOI: 10.1590/S0103-50532009000700002 |
0.55 |
|
| 2009 |
Tenne R, Seifert G. Recent Progress in the Study of Inorganic Nanotubes and Fullerene-Like Structures Annual Review of Materials Research. 39: 387-413. DOI: 10.1146/Annurev-Matsci-082908-145429 |
0.312 |
|
| 2009 |
Gemming S, Kunze T, Morawetz K, Pankoke V, Luschtinetz R, Seifert G. The role of homophase and heterophase interfaces on transport properties in structured materials European Physical Journal-Special Topics. 177: 83-101. DOI: 10.1140/Epjst/E2009-01169-4 |
0.348 |
|
| 2009 |
Enyashin AN, Kreizman R, Seifert G. Capillary Imbibition of PbI2 Melt by Inorganic and Carbon Nanotubes The Journal of Physical Chemistry C. 113: 13664-13669. DOI: 10.1021/Jp903649W |
0.342 |
|
| 2009 |
Enyashin AN, Bar-Sadan M, Sloan J, Houben L, Seifert G. Nanoseashells and Nanooctahedra of MoS2: Routes to Inorganic Fullerenes Chemistry of Materials. 21: 5627-5636. DOI: 10.1021/Cm9021326 |
0.362 |
|
| 2009 |
Gemming S, Seifert G, Bertram N, Fischer T, Götz M, Ganteför G. One-dimensional (Mo3S3)n clusters: Building blocks of clusters materials and ideal nanowires for molecular electronics Chemical Physics Letters. 474: 127-131. DOI: 10.1016/J.Cplett.2009.04.020 |
0.303 |
|
| 2009 |
Enyashin AN, Popov I, Seifert G. Stability and electronic properties of rhenium sulfide nanotubes Physica Status Solidi (B). 246: 114-118. DOI: 10.1002/Pssb.200844254 |
0.41 |
|
| 2008 |
Popov I, Gemming S, Okano S, Ranjan N, Seifert G. Electromechanical switch based on Mo6S6 nanowires. Nano Letters. 8: 4093-7. PMID 19367998 DOI: 10.1021/Nl801456F |
0.368 |
|
| 2008 |
Nagapriya KS, Goldbart O, Kaplan-Ashiri I, Seifert G, Tenne R, Joselevich E. Torsional stick-slip behavior in WS2 nanotubes. Physical Review Letters. 101: 195501. PMID 19113281 DOI: 10.1103/Physrevlett.101.195501 |
0.323 |
|
| 2008 |
Kibsgaard J, Tuxen A, Levisen M, Laegsgaard E, Gemming S, Seifert G, Lauritsen JV, Besenbacher F. Atomic-scale structure of Mo6S6 nanowires. Nano Letters. 8: 3928-31. PMID 18950238 DOI: 10.1021/Nl802384N |
0.359 |
|
| 2008 |
Bar Sadan M, Houben L, Enyashin AN, Seifert G, Tenne R. Atom by atom: HRTEM insights into inorganic nanotubes and fullerene-like structures. Proceedings of the National Academy of Sciences of the United States of America. 105: 15643-8. PMID 18838681 DOI: 10.1073/Pnas.0805407105 |
0.383 |
|
| 2008 |
Kuc A, Heine T, Seifert G, Duarte HA. H2 adsorption in metal-organic frameworks: dispersion or electrostatic interactions? Chemistry (Weinheim An Der Bergstrasse, Germany). 14: 6597-600. PMID 18576437 DOI: 10.1002/Chem.200800878 |
0.531 |
|
| 2008 |
Bar Sadan M, Houben L, Wolf SG, Enyashin A, Seifert G, Tenne R, Urban K. Toward atomic-scale bright-field electron tomography for the study of fullerene-like nanostructures. Nano Letters. 8: 891-6. PMID 18237147 DOI: 10.1021/Nl073149I |
0.331 |
|
| 2008 |
Popov I, Pecchia A, Okano S, Ranjan N, Di Carlo A, Seifert G. Electronic and transport properties of contacts between molybdenum sulfide nanowires and gold electrodes Applied Physics Letters. 93: 083115. DOI: 10.1063/1.2976680 |
0.315 |
|
| 2008 |
Seifert G. The physics of explosive chemistry Nature Physics. 4: 12-13. DOI: 10.1038/Nphys824 |
0.341 |
|
| 2008 |
Stefanov M, Enyashin AN, Heine T, Seifert G. Nanolubrication: How do MoS2-based nanostructures lubricate? Journal of Physical Chemistry C. 112: 17764-17767. DOI: 10.1021/Jp808204N |
0.472 |
|
| 2008 |
Zagorodniy K, Hermann H, Taut M, Seifert G, Zschech E. Structure analysis and property improvements of the computer-simulated fullerene-based ultralow-k dielectrics Microelectronic Engineering. 85: 2118-2122. DOI: 10.1016/J.Mee.2008.05.024 |
0.32 |
|
| 2008 |
Novák P, Chaplygin I, Seifert G, Gemming S, Laskowski R. Ab-initio calculation of exchange interactions in YMnO3 Computational Materials Science. 44: 79-81. DOI: 10.1016/J.Commatsci.2008.01.028 |
0.321 |
|
| 2008 |
Kuc A, Heine T, Seifert G, Duarte HA. On the nature of the interaction between H2 and metal-organic frameworks Theoretical Chemistry Accounts. 120: 543-550. DOI: 10.1007/S00214-008-0439-2 |
0.479 |
|
| 2007 |
Enyashin AN, Seifert G. Titanium oxide fullerenes: electronic structure and basic trends in their stability. Physical Chemistry Chemical Physics : Pccp. 9: 5772-5. PMID 19462572 DOI: 10.1039/B712094J |
0.357 |
|
| 2007 |
Guimarães L, Enyashin AN, Frenzel J, Heine T, Duarte HA, Seifert G. Imogolite nanotubes: stability, electronic, and mechanical properties. Acs Nano. 1: 362-8. PMID 19206688 DOI: 10.1021/Nn700184K |
0.56 |
|
| 2007 |
Popov I, Yang T, Berber S, Seifert G, Tománek D. Unique structural and transport properties of molybdenum chalcohalide nanowires. Physical Review Letters. 99: 085503. PMID 17930955 DOI: 10.1103/Physrevlett.99.085503 |
0.403 |
|
| 2007 |
Baldoni M, Leoni S, Sgamellotti A, Seifert G, Mercuri F. Formation, structure, and polymorphism of novel lowest-dimensional AgI nanoaggregates by encapsulation in carbon nanotubes. Small (Weinheim An Der Bergstrasse, Germany). 3: 1730-4. PMID 17849376 DOI: 10.1002/Smll.200700296 |
0.307 |
|
| 2007 |
Kuc A, Enyashin A, Seifert G. Metal-organic frameworks: structural, energetic, electronic, and mechanical properties. The Journal of Physical Chemistry. B. 111: 8179-86. PMID 17585800 DOI: 10.1021/Jp072085X |
0.397 |
|
| 2007 |
Seifert G. Tight-binding density functional theory: an approximate Kohn-Sham DFT scheme. Journal of Physical Chemistry A. 111: 5609-5613. PMID 17439198 DOI: 10.1021/Jp069056R |
0.335 |
|
| 2007 |
Köhler C, Frauenheim T, Hourahine B, Seifert G, Sternberg M. Treatment of collinear and noncollinear electron spin within an approximate density functional based method. The Journal of Physical Chemistry. A. 111: 5622-9. PMID 17428041 DOI: 10.1021/Jp068802P |
0.304 |
|
| 2007 |
Rapacioli M, Barthel R, Heine T, Seifert G. Car-Parrinello treatment for an approximate density-functional theory method. The Journal of Chemical Physics. 126: 124103. PMID 17411104 DOI: 10.1063/1.2566510 |
0.505 |
|
| 2007 |
Kuc A, Zhechkov L, Patchkovskii S, Seifert G, Heine T. Hydrogen sieving and storage in fullerene intercalated graphite. Nano Letters. 7: 1-5. PMID 17212430 DOI: 10.1021/Nl0619148 |
0.532 |
|
| 2007 |
Enyashin AN, Gemming S, Bar-Sadan M, Popovitz-Biro R, Hong SY, Prior Y, Tenne R, Seifert G. Structure and stability of molybdenum sulfide fullerenes. Angewandte Chemie (International Ed. in English). 46: 623-7. PMID 17154434 DOI: 10.1002/Anie.200602136 |
0.331 |
|
| 2007 |
Gemming S, Luschtinetz R, Chaplygin I, Seifert G, Loppacher C, Eng LM, Kunze T, Olbrich C. Polymorphism in ferroic functional elements The European Physical Journal Special Topics. 149: 145-171. DOI: 10.1140/Epjst/E2007-00248-X |
0.388 |
|
| 2007 |
Enyashin A, Gemming S, Seifert G. Nanosized allotropes of molybdenum disulfide The European Physical Journal Special Topics. 149: 103-125. DOI: 10.1140/Epjst/E2007-00246-0 |
0.377 |
|
| 2007 |
Popov I, Kunze T, Gemming S, Seifert G. Self-assembly of Mo 6S 8 clusters on the Au(111) surface The European Physical Journal D. 45: 439-446. DOI: 10.1140/Epjd/E2007-00170-1 |
0.33 |
|
| 2007 |
Ivanovskaya VV, Zobelli A, Seifert G, Ivanovskĭ AL. Dimensionally, morphologically, and thermally induced phase transformations in boron-nitrogen nanowires Jetp Letters. 85: 626-631. DOI: 10.1134/S0021364007120089 |
0.379 |
|
| 2007 |
Milošević I, Nikolić B, Dobardžić E, Damnjanović M, Popov I, Seifert G. Electronic properties and optical spectra ofMoS2andWS2nanotubes Physical Review B. 76. DOI: 10.1103/Physrevb.76.233414 |
0.341 |
|
| 2007 |
Popov I, Gemming S, Seifert G. Structural and electronic properties ofMo6S8clusters deposited on a Au(111) surface investigated with density functional theory Physical Review B. 75. DOI: 10.1103/Physrevb.75.245436 |
0.36 |
|
| 2007 |
Zobelli A, Gloter A, Ewels CP, Seifert G, Colliex C. Electron knock-on cross section of carbon and boron nitride nanotubes Physical Review B. 75. DOI: 10.1103/Physrevb.75.245402 |
0.373 |
|
| 2007 |
Ivanovskaya VV, Köhler C, Seifert G. 3d metal nanowires and clusters inside carbon nanotubes: Structural, electronic, and magnetic properties Physical Review B. 75: 75410. DOI: 10.1103/Physrevb.75.075410 |
0.369 |
|
| 2007 |
Kaplan-Ashiri I, Cohen SR, Apter N, Wang Y, Seifert G, Wagner HD, Tenne R. Microscopic investigation of shear in multiwalled nanotube deformation Journal of Physical Chemistry C. 111: 8432-8436. DOI: 10.1021/Jp070832K |
0.348 |
|
| 2007 |
Mandumpal J, Gemming S, Seifert G. Curvature effects of nitrogen on graphitic sheets: Structures and energetics Chemical Physics Letters. 447: 115-120. DOI: 10.1016/J.Cplett.2007.09.007 |
0.353 |
|
| 2007 |
Gemming S, Luschtinetz R, Alsheimer W, Seifert G, Loppacher C, Eng LM. Modelling ferroic functional elements Journal of Computer-Aided Materials Design. 14: 211-218. DOI: 10.1007/S10820-007-9076-7 |
0.356 |
|
| 2006 |
Bar-Sadan M, Enyashin AN, Gemming S, Popovitz-Biro R, Hong SY, Prior Y, Tenne R, Seifert G. Structure and stability of molybdenum sulfide fullerenes. The Journal of Physical Chemistry. B. 110: 25399-410. PMID 17165987 DOI: 10.1021/Jp0644560 |
0.395 |
|
| 2006 |
Enyashin A, Gemming S, Heine T, Seifert G, Zhechkov L. C28 fullerites-structure, electronic properties and intercalates. Physical Chemistry Chemical Physics : Pccp. 8: 3320-5. PMID 16835680 DOI: 10.1039/B604737H |
0.555 |
|
| 2006 |
Kaplan-Ashiri I, Cohen SR, Gartsman K, Ivanovskaya V, Heine T, Seifert G, Wiesel I, Wagner HD, Tenne R. On the mechanical behavior of WS2 nanotubes under axial tension and compression. Proceedings of the National Academy of Sciences of the United States of America. 103: 523-8. PMID 16407141 DOI: 10.1073/Pnas.0505640103 |
0.771 |
|
| 2006 |
Ivanovskaya VV, Seifert G, Ivanovskii AL. Electronic structure of niobium-doped molybdenum disulfide nanotubes Russian Journal of Inorganic Chemistry. 51: 320-324. DOI: 10.1134/S0036023606020215 |
0.422 |
|
| 2006 |
Kuc A, Seifert G. Hexagon-preserving carbon foams: Properties of hypothetical carbon allotropes Physical Review B. 74. DOI: 10.1103/Physrevb.74.214104 |
0.381 |
|
| 2006 |
Rother A, Reibold M, Lichte H, Leisegang T, Levin AA, Paufler P, Meyer DC, Gemming S, Chaplygin I, Seifert G, Ormeci A, Rosner H. Publisher's Note: X-ray investigation, high-resolution electron holography, and density functional calculations of single-crystallineBaTiO3[Phys. Rev. B74, 134116 (2006)] Physical Review B. 74. DOI: 10.1103/Physrevb.74.179903 |
0.315 |
|
| 2006 |
Rother A, Reibold M, Lichte H, Leisegang T, Levin AA, Paufler P, Meyer DC, Gemming S, Chaplygin I, Seifert G, Ormeci A, Rosner H. X-ray investigation, high-resolution electron holography, and density functional calculations of single-crystallineBaTiO3 Physical Review B. 74. DOI: 10.1103/Physrevb.74.134116 |
0.38 |
|
| 2006 |
Goswami B, Pal S, Sarkar P, Seifert G, Springborg M. Theoretical study of structural, electronic, and optical properties ofZnmSenclusters Physical Review B. 73. DOI: 10.1103/Physrevb.73.205312 |
0.421 |
|
| 2006 |
Ranjan N, Seifert G. Transport properties of functionalized carbon nanotubes: Density-functional Green’s function calculations Physical Review B. 73. DOI: 10.1103/Physrevb.73.153408 |
0.386 |
|
| 2006 |
Koskinen P, Häkkinen H, Seifert G, Sanna S, Frauenheim T, Moseler M. Density-functional based tight-binding study of small gold clusters New Journal of Physics. 8: 9-9. DOI: 10.1088/1367-2630/8/1/009 |
0.364 |
|
| 2006 |
Enyashin AN, Ivanovskii AL, Seifert G. Stability and electronic properties of single-walled γ-AlO(OH) nanotubes Mendeleev Communications. 16: 292-294. DOI: 10.1070/Mc2006V016N06Abeh002422 |
0.388 |
|
| 2006 |
De Abreu HA, De Almeida WB, Duarte HA, Fischer G, Heine T, Merino G, Seifert G. Theoretical study of the propagation barrier of ethylene polymerization with TiR2 (R=OCH3 or CN): The importance of the β-agostic interactions Journal of Molecular Structure: Theochem. 762: 9-15. DOI: 10.1016/J.Theochem.2005.08.041 |
0.501 |
|
| 2006 |
Bertram N, Cordes J, Kim Y, Ganteför G, Gemming S, Seifert G. Nanoplatelets made from MoS2 and WS2 Chemical Physics Letters. 418: 36-39. DOI: 10.1016/J.Cplett.2005.10.046 |
0.319 |
|
| 2006 |
Seifert G, Tamuliene J, Gemming S. MonS2n+x clusters—magic numbers and platelets Computational Materials Science. 35: 316-320. DOI: 10.1016/J.Commatsci.2004.08.014 |
0.314 |
|
| 2006 |
Gemming S, Seifert G. Density-functional study of Mo4S6 on Au(111) Applied Physics A. 82: 175-179. DOI: 10.1007/S00339-005-3355-5 |
0.365 |
|
| 2006 |
Gemming S, Tamuliene J, Seifert G, Bertram N, Kim YD, Ganteför G. Electronic and geometric structures of MoxSy and WxSy (x =1, 2, 4; y =1 12) clusters Applied Physics A. 82: 161-166. DOI: 10.1007/S00339-005-3345-7 |
0.348 |
|
| 2006 |
Carlo AD, Pecchia A, Latessa L, Frauenheim T, Seifert G. Tight-Binding DFT for Molecular Electronics (gDFTB) Lecture Notes in Physics. 680: 153-184. DOI: 10.1007/3-540-31514-4_6 |
0.361 |
|
| 2006 |
Zhechkov L, Heine T, Seifert G. Physisorption of N2 on graphene platelets: An Ab initio study International Journal of Quantum Chemistry. 106: 1375-1382. DOI: 10.1002/Qua.20895 |
0.498 |
|
| 2006 |
Gemming S, Seifert G, Vilfan I. Li doped Mo6S6 nanowires: elastic and electronic properties Physica Status Solidi (B). 243: 3320-3324. DOI: 10.1002/Pssb.200669164 |
0.362 |
|
| 2006 |
Ivanovskaya VV, Heine T, Gemming S, Seifert G. Structure, stability and electronic properties of composite Mo 1-xNbxS2 nanotubes Physica Status Solidi (B) Basic Research. 243: 1757-1764. DOI: 10.1002/Pssb.200541506 |
0.569 |
|
| 2006 |
Wang Y, Seifert G, Hermann H. Molecular design of fullerene-based ultralow-kdielectrics Physica Status Solidi (a). 203: 3868-3872. DOI: 10.1002/Pssa.200622312 |
0.308 |
|
| 2005 |
Zhechkov L, Heine T, Patchkovskii S, Seifert G, Duarte HA. An Efficient a Posteriori Treatment for Dispersion Interaction in Density-Functional-Based Tight Binding. Journal of Chemical Theory and Computation. 1: 841-7. PMID 26641900 DOI: 10.1021/Ct050065Y |
0.529 |
|
| 2005 |
Ivanovskaya VV, Ranjan N, Heine T, Merino G, Seifert G. Molecular dynamics study of the mechanical and electronic properties of carbon nanotubes. Small (Weinheim An Der Bergstrasse, Germany). 1: 399-402. PMID 17193462 DOI: 10.1002/Smll.200400110 |
0.771 |
|
| 2005 |
Hazebroucq S, Picard GS, Adamo C, Heine T, Gemming S, Seifert G. Density-functional-based molecular-dynamics simulations of molten salts. The Journal of Chemical Physics. 123: 134510. PMID 16223317 DOI: 10.1063/1.2038888 |
0.523 |
|
| 2005 |
Heine T, Corminboeuf C, Seifert G. The magnetic shielding function of molecules and pi-electron delocalization. Chemical Reviews. 105: 3889-910. PMID 16218570 DOI: 10.1021/Cr030082K |
0.624 |
|
| 2005 |
Patchkovskii S, Tse JS, Yurchenko SN, Zhechkov L, Heine T, Seifert G. Graphene nanostructures as tunable storage media for molecular hydrogen. Proceedings of the National Academy of Sciences of the United States of America. 102: 10439-44. PMID 16020537 DOI: 10.1073/Pnas.0501030102 |
0.536 |
|
| 2005 |
Perez N, Heine T, Barthel R, Seifert G, Vela A, Mendez-Rojas MA, Merino G. Planar tetracoordinate carbons in cyclic hydrocarbons. Organic Letters. 7: 1509-12. PMID 15816739 DOI: 10.1021/Ol050170M |
0.546 |
|
| 2005 |
Kaplan-Ashiri I, Cohen SR, Gartsman K, Rosentsveig R, Ivanovskaya V, Heine T, Seifert G, Wagner HD, Tenne R. Direct Tensile Tests of Individual WS2 Nanotubes Materials Science Forum. 4097-4102. DOI: 10.4028/Www.Scientific.Net/Msf.475-479.4097 |
0.528 |
|
| 2005 |
Gemming S, Lehmann M, Seifert G. Semi-flexible star-shaped molecules: conformational analysis of nano-segregated mesogens forming columnar liquid-crystal phases Zeitschrift FüR Metallkunde. 96: 988-997. DOI: 10.3139/146.101130 |
0.325 |
|
| 2005 |
Seifert G, Enyashin AN, Heine T. Hyperdiamond and hyperlonsdaleit: Possible crystalline phases of fullerene C28 Physical Review B - Condensed Matter and Materials Physics. 72. DOI: 10.1103/Physrevb.72.012102 |
0.494 |
|
| 2005 |
Ranjan N, Seifert G, Mertig M, Heine T. Wrapping carbon nanotubes with DNA: A theoretical study Aip Conference Proceedings. 786: 448-451. DOI: 10.1063/1.2103907 |
0.402 |
|
| 2005 |
Gemming S, Seifert G, Mühle C, Jansen M, Albu-Yaron A, Arad T, Tenne R. Electron microscopy, spectroscopy, and first-principles calculations of Cs2O Journal of Solid State Chemistry. 178: 1190-1196. DOI: 10.1016/J.Jssc.2004.09.022 |
0.366 |
|
| 2005 |
Sarkar P, Springborg M, Seifert G. A theoretical study of the structural and electronic properties of CdSe/CdS and CdS/CdSe core/shell nanoparticles Chemical Physics Letters. 405: 103-107. DOI: 10.1016/J.Cplett.2005.02.001 |
0.333 |
|
| 2005 |
Köhler C, Seifert G, Frauenheim T. Density functional based calculations for Fen (n⩽32) Chemical Physics. 309: 23-31. DOI: 10.1016/J.Chemphys.2004.03.034 |
0.322 |
|
| 2005 |
Francke M, Hermann H, Wenzel R, Seifert G, Wetzig K. Modification of carbon nanostructures by high energy ball-milling under argon and hydrogen atmosphere Carbon. 43: 1204-1212. DOI: 10.1016/J.Carbon.2004.12.013 |
0.333 |
|
| 2005 |
Enyashin AN, Seifert G, Ivanovskii AL. Calculation of the Electronic and Thermal Properties of C/BN Nanotubular Heterostructures Inorganic Materials. 41: 595-603. DOI: 10.1007/S10789-005-0176-Z |
0.381 |
|
| 2005 |
Duarte HA, Heine T, Seifert G. DFT xTB - A unified quantum-mechanical hybrid method Theoretical Chemistry Accounts. 114: 68-75. DOI: 10.1007/S00214-005-0645-0 |
0.506 |
|
| 2005 |
Frenzel J, Oliveira AF, Duarte HA, Heine T, Seifert G. Structural and electronic properties of bulk gibbsite and gibbsite surfaces Zeitschrift Fur Anorganische Und Allgemeine Chemie. 631: 1267-1271. DOI: 10.1002/Zaac.200500051 |
0.533 |
|
| 2005 |
Enyashin AN, Seifert G. Structure, stability and electronic properties of TiO2 nanostructures Physica Status Solidi (B). 242: 1361-1370. DOI: 10.1002/Pssb.200540026 |
0.352 |
|
| 2004 |
Heine T, Vietze K, Seifert G. 13C NMR fingerprint characterizes long time-scale structure of Sc3N@C80 endohedral fullerene. Magnetic Resonance in Chemistry : Mrc. 42: S199-201. PMID 15366054 DOI: 10.1002/Mrc.1451 |
0.498 |
|
| 2004 |
Merino G, Heine T, Seifert G. The induced magnetic field in cyclic molecules. Chemistry (Weinheim An Der Bergstrasse, Germany). 10: 4367-71. PMID 15352120 DOI: 10.1002/Chem.200400457 |
0.47 |
|
| 2004 |
Kaplan-Ashiri I, Cohen S, Gartsman K, Rosentsveig R, Seifert G, Tenne R. Mechanical behavior of individual WS2 nanotubes Journal of Materials Research. 19: 454-459. DOI: 10.1557/Jmr.2004.19.2.454 |
0.347 |
|
| 2004 |
Enyashin AN, Seifert G, Ivanovskii AL. Electronic, structural, and thermal properties of a nanocable consisting of carbon and BN nanotubes Journal of Experimental and Theoretical Physics Letters. 80: 608-611. DOI: 10.1134/1.1851644 |
0.383 |
|
| 2004 |
Frenzel J, Gemming S, Seifert G. Electronic structure ofGa84cluster compounds Physical Review B. 70. DOI: 10.1103/Physrevb.70.235404 |
0.345 |
|
| 2004 |
Gemming S, Seifert G, Schreiber M. Density-functional investigation of gold-coated metallic nanowires Physical Review B. 69. DOI: 10.1103/Physrevb.69.245410 |
0.334 |
|
| 2004 |
Heine T, Zhechkov L, Seifert G. Hydrogen storage by physisorption on nanostructured graphite platelets Physical Chemistry Chemical Physics. 6: 980-984. DOI: 10.1039/B316209E |
0.496 |
|
| 2004 |
Corminboeuf C, Heine T, Seifert G, Von Ragué Schleyer P, Weber J. Induced magnetic fields in aromatic [n]-annulenes - Interpretation of NICS tensor components Physical Chemistry Chemical Physics. 6: 273-276. DOI: 10.1039/B313383B |
0.61 |
|
| 2004 |
Zahn D, Seifert G. Atomistic Simulation Study of the Pressure Induced Incorporation of Helium into C60 The Journal of Physical Chemistry B. 108: 16495-16498. DOI: 10.1021/Jp048097P |
0.301 |
|
| 2004 |
Zhechkov L, Heine T, Seifert G. D5h C50 fullerene: A building block for oligomers and solids? Journal of Physical Chemistry A. 108: 11733-11739. DOI: 10.1021/Jp046318L |
0.481 |
|
| 2004 |
Seifert G. Hydrogen on and in carbon nanostructures Solid State Ionics. 168: 265-269. DOI: 10.1016/J.Ssi.2003.02.002 |
0.359 |
|
| 2004 |
Ivanovskaya V, Seifert G. Tubular structures of titanium disulfide TiS2 Solid State Communications. 130: 175-180. DOI: 10.1016/J.Ssc.2004.02.002 |
0.378 |
|
| 2004 |
Gemming S, Schreiber M, Thiel W, Heine T, Seifert G, De Abreu HA, Duarte HA. Tunable discotic building blocks for liquid crystalline displays Journal of Luminescence. 108: 143-147. DOI: 10.1016/J.Jlumin.2004.01.031 |
0.504 |
|
| 2004 |
Bertram N, Kim YD, Ganteför G, Sun Q, Jena P, Tamuliene J, Seifert G. Experimental and theoretical studies on inorganic magic clusters : M4X6 (M = W, Mo, X = O, S) Chemical Physics Letters. 396: 341-345. DOI: 10.1016/J.Cplett.2004.08.057 |
0.335 |
|
| 2004 |
Merino G, Heine T, Seifert G. Cover Picture: The Induced Magnetic Field in Cyclic Molecules (Chem. Eur. J. 17/2004) Chemistry - a European Journal. 10: 4095-4095. DOI: 10.1002/Chem.200490058 |
0.451 |
|
| 2003 |
Chen Z, Jiao H, Seifert G, Horn AH, Yu D, Clark T, Thiel W, von Ragué Schleyer P. The structure and stability of Si60 and Ge60 cages: a computational study. Journal of Computational Chemistry. 24: 948-53. PMID 12720315 DOI: 10.1002/Jcc.10266 |
0.343 |
|
| 2003 |
Gemming S, Seifert G. Nanotube bundles from calcium disilicide: A density functional theory study Physical Review B. 68. DOI: 10.1103/Physrevb.68.075416 |
0.355 |
|
| 2003 |
Ponomarenko O, Radny MW, Smith PV, Seifert G. Properties of boron carbide nanotubes: Density-functional-based tight-binding calculations Physical Review B. 67. DOI: 10.1103/Physrevb.67.125401 |
0.384 |
|
| 2003 |
Rosenfeld Hacohen Y, Popovitz-Biro R, Prior Y, Gemming S, Seifert G, Tenne R. Synthesis of NiCl2 nanotubes and fullerene-like structures by laser ablation: Theoretical considerations and comparison with MoS2 nanotubes Physical Chemistry Chemical Physics. 5: 1644-1651. DOI: 10.1039/B211737A |
0.376 |
|
| 2003 |
Heine T, Ragué Schleyer PV, Corminboeuf C, Seifert G, Reviakine R, Weber J. Analysis of aromatic delocalization: Individual molecular orbital contributions to nucleus-independent chemical shifts Journal of Physical Chemistry A. 107: 6470-6475. DOI: 10.1021/Jp035163Z |
0.644 |
|
| 2003 |
Joswig J, Seifert G, Niehaus TA, Springborg M. Optical Properties of Cadmium Sulfide Clusters The Journal of Physical Chemistry B. 107: 2897-2902. DOI: 10.1021/Jp026752S |
0.344 |
|
| 2002 |
Seeger T, Cöhler T, Frauenheim T, Grobert N, Terrones M, Seifert G, Rühle M. SiO2-coated carbon nanotubes: theory and experiment Zeitschrift FüR Metallkunde. 93: 455-458. DOI: 10.3139/146.020455 |
0.378 |
|
| 2002 |
Abdurahman A, Shukla A, Seifert G. Ab initio many-body calculations of static dipole polarizabilities of linear carbon chains and chainlike boron clusters Physical Review B. 66: 155423. DOI: 10.1103/Physrevb.66.155423 |
0.357 |
|
| 2002 |
Frauenheim T, Seifert G, Elstner M, Niehaus T, Köhler C, Amkreutz M, Sternberg M, Hajnal Z, Di Carlo A, Suhai S. Atomistic simulations of complex materials: Ground-state and excited-state properties Journal of Physics Condensed Matter. 14: 3015-3047. DOI: 10.1088/0953-8984/14/11/313 |
0.379 |
|
| 2002 |
Scheffer L, Rosentzveig R, Margolin A, Popovitz-Biro R, Seifert G, Cohen SR, Tenne R. Scanning tunneling microscopy study of WS2 nanotubes Physical Chemistry Chemical Physics. 4: 2095-2098. DOI: 10.1039/B201244H |
0.327 |
|
| 2002 |
Carlo AD, Gheorghe M, Bolognesi A, Lugli P, Sternberg M, Seifert G, Frauenheim T. Molecular Devices Simulations Based on Density Functional Tight-Binding Journal of Computational Electronics. 1: 109-112. DOI: 10.1023/A:1020780114540 |
0.368 |
|
| 2002 |
Seifert G, Köhler T, Tenne R. Stability of Metal Chalcogenide Nanotubes The Journal of Physical Chemistry B. 106: 2497-2501. DOI: 10.1021/Jp0131323 |
0.313 |
|
| 2002 |
Di Carlo A, Gheorghe M, Lugli P, Sternberg M, Seifert G, Frauenheim T. Theoretical tools for transport in molecular nanostructures Physica B: Condensed Matter. 314: 86-90. DOI: 10.1016/S0921-4526(01)01445-4 |
0.364 |
|
| 2002 |
Fabian J, Diaz L, Seifert G, Niehaus T. Calculation of excitation energies of organic chromophores: a critical evaluation Journal of Molecular Structure: Theochem. 594: 41-53. DOI: 10.1016/S0166-1280(02)00322-6 |
0.325 |
|
| 2001 |
Lee SM, An KH, Lee YH, Seifert G, Frauenheim T. A hydrogen storage mechanism in single-walled carbon nanotubes. Journal of the American Chemical Society. 123: 5059-63. PMID 11457335 DOI: 10.1021/Ja003751+ |
0.33 |
|
| 2001 |
Rao BK, Jena P, Burkart S, Ganteför G, Seifert G. AlH(3) and Al(2)H(6): magic clusters with unmagical properties. Physical Review Letters. 86: 692-5. PMID 11177914 DOI: 10.1103/Physrevlett.86.692 |
0.321 |
|
| 2001 |
Seifert G, Köhler T, Urbassek HM, Hernández E, Frauenheim T. Tubular structures of silicon Physical Review B. 63: 193409. DOI: 10.1103/Physrevb.63.193409 |
0.363 |
|
| 2001 |
Niehaus TA, Suhai S, Della Sala F, Lugli P, Elstner M, Seifert G, Frauenheim T. Tight-binding approach to time-dependent density-functional response theory Physical Review B. 63. DOI: 10.1103/Physrevb.63.085108 |
0.345 |
|
| 2001 |
Krause M, Kuzmany H, Georgi P, Dunsch L, Vietze K, Seifert G. Structure and stability of endohedral fullerene Sc3N@C80: A Raman, infrared, and theoretical analysis Journal of Chemical Physics. 115: 6596-6605. DOI: 10.1063/1.1399298 |
0.348 |
|
| 2001 |
Hermann H, Fugaciu F, Seifert G. Towards controlled production of specific carbon nanostructures— a theoretical study on structural transformations of graphitic and diamond particles Applied Physics Letters. 79: 63-65. DOI: 10.1063/1.1382852 |
0.336 |
|
| 2001 |
Joswig J, Springborg M, Seifert G. Structural and electronic properties of small titanium–carbon clusters (metcars) Physical Chemistry Chemical Physics. 3: 5130-5134. DOI: 10.1039/B105841J |
0.345 |
|
| 2001 |
Heine T, Zerbetto F, Seifert G, Fowler PW. Isomers of C707 dimer Journal of Physical Chemistry A. 105: 1140-1143. DOI: 10.1021/Jp0036036 |
0.482 |
|
| 2001 |
Heine T, Goursot A, Seifert G, Weber J. Performance of DFT for29Si NMR Chemical Shifts of Silanes The Journal of Physical Chemistry A. 105: 620-626. DOI: 10.1021/Jp002495K |
0.421 |
|
| 2001 |
Seifert G, Köhler T, Hajnal Z, Frauenheim T. Tubular structures of germanium Solid State Communications. 119: 653-657. DOI: 10.1016/S0038-1098(01)00309-X |
0.375 |
|
| 2000 |
Seifert G, Terrones H, Terrones M, Jungnickel G, Frauenheim T. Structure and Electronic Properties ofMoS2Nanotubes Physical Review Letters. 85: 146-149. PMID 10991180 DOI: 10.1103/Physrevlett.85.146 |
0.366 |
|
| 2000 |
Seifert G, Köhler T, Frauenheim T. Molecular wires, solenoids, and capacitors by sidewall functionalization of carbon nanotubes Applied Physics Letters. 77: 1313-1315. DOI: 10.1063/1.1289263 |
0.4 |
|
| 2000 |
Joswig J, Springborg M, Seifert G. Structural and Electronic Properties of Cadmium Sulfide Clusters The Journal of Physical Chemistry B. 104: 2617-2622. DOI: 10.1021/Jp993512C |
0.38 |
|
| 2000 |
Seifert G, Terrones H, Terrones M, Frauenheim T. Novel NbS2 metallic nanotubes Solid State Communications. 115: 635-638. DOI: 10.1016/S0038-1098(00)00264-7 |
0.383 |
|
| 2000 |
Seifert G, Terrones H, Terrones M, Jungnickel G, Frauenheim T. On the electronic structure of WS2 nanotubes Solid State Communications. 114: 245-248. DOI: 10.1016/S0038-1098(00)00047-8 |
0.362 |
|
| 2000 |
Seifert G, Hernández E. Theoretical prediction of phosphorus nanotubes Chemical Physics Letters. 318: 355-360. DOI: 10.1016/S0009-2614(99)00045-2 |
0.343 |
|
| 2000 |
Haugk M, Elsner J, Frauenheim T, Staab T, Latham C, Jones R, Leipner H, Heine T, Seifert G, Sternberg M. Structures, Energetics and Electronic Properties of Complex III—V Semiconductor Systems Physica Status Solidi (B). 217: 473-511. DOI: 10.1002/(Sici)1521-3951(200001)217:1<473::Aid-Pssb473>3.0.Co;2-N |
0.481 |
|
| 2000 |
Frauenheim T, Seifert G, Elsterner M, Hajnal Z, Jungnickel G, Porezag D, Suhai S, Scholz R. A Self-Consistent Charge Density-Functional Based Tight-Binding Method for Predictive Materials Simulations in Physics, Chemistry and Biology Physica Status Solidi (B). 217: 41-62. DOI: 10.1002/(Sici)1521-3951(200001)217:1<41::Aid-Pssb41>3.0.Co;2-V |
0.355 |
|
| 2000 |
Elstner M, Frauenheim T, Kaxiras E, Seifert G, Suhai S. A Self-Consistent Charge Density-Functional Based Tight-Binding Scheme for Large Biomolecules Physica Status Solidi (B). 217: 357-376. DOI: 10.1002/(Sici)1521-3951(200001)217:1<357::Aid-Pssb357>3.0.Co;2-J |
0.351 |
|
| 1999 |
Albertazzi E, Domene C, Fowler PW, Heine T, Seifert G, Van Alsenoy C, Zerbetto F. Pentagon adjacency as a determinant of fullerene stability Physical Chemistry Chemical Physics. 1: 2913-2918. DOI: 10.1039/A901600G |
0.509 |
|
| 1999 |
Heine T, Fowler PW, Rogers KM, Seifert G. Structural and energetic parallels between hydrogenated and fluorinated fullerenes: C36X6 Journal of the Chemical Society. Perkin Transactions 2. 707-711. DOI: 10.1039/A900471H |
0.477 |
|
| 1999 |
Heine T, Seifert G, Fowler PW, Zerbetto F. A tight-binding treatment for 13C NMR spectra of fullerenes Journal of Physical Chemistry A. 103: 8738-8746. DOI: 10.1021/Jp9923062 |
0.525 |
|
| 1999 |
Haugk M, Elsner J, Heine T, Frauenheim T, Seifert G. A parallel code for a self-consistent charge density functional based tight binding method: Total energy calculations for extended systems Computational Materials Science. 13: 239-251. DOI: 10.1016/S0927-0256(98)00095-0 |
0.356 |
|
| 1999 |
Heine T, Fowler PW, Seifert G. C36: From dimer to bulk Solid State Communications. 111: 19-22. DOI: 10.1016/S0038-1098(99)00150-7 |
0.527 |
|
| 1999 |
Fowler PW, Heine T, Rogers KM, Sandall JPB, Seifert G, Zerbetto F. C 36 , a hexavalent building block for fullerene compounds and solids Chemical Physics Letters. 300: 369-378. DOI: 10.1016/S0009-2614(98)01385-2 |
0.505 |
|
| 1999 |
Fowler P, Rogers K, Seifert G, Terrones M, Terrones H. Pentagonal rings and nitrogen excess in fullerene-based BN cages and nanotube caps Chemical Physics Letters. 299: 359-367. DOI: 10.1016/S0009-2614(98)01265-2 |
0.339 |
|
| 1998 |
Kietzmann H, Rochow R, Ganteför G, Eberhardt W, Vietze K, Seifert G, Fowler PW. Electronic Structure of Small Fullerenes: Evidence for the High Stability ofC32 Physical Review Letters. 81: 5378-5381. DOI: 10.1103/Physrevlett.81.5378 |
0.323 |
|
| 1998 |
Elstner M, Porezag D, Jungnickel G, Elsner J, Haugk M, Frauenheim T, Suhai S, Seifert G. Self-consistent-charge density-functional tight-binding method for simulations of complex materials properties Physical Review B. 58: 7260-7268. DOI: 10.1103/Physrevb.58.7260 |
0.334 |
|
| 1998 |
Seifert G, Kaschner R, Schöne M, Pastore G. Density functional calculations for Zintl systems: structure, electronic structure and electrical conductivity of liquid NaSn alloys Journal of Physics: Condensed Matter. 10: 1175-1198. DOI: 10.1088/0953-8984/10/6/002 |
0.376 |
|
| 1998 |
Seifert G, Bartl A, Dunsch L, Ayuela A, Rockenbauer A. Electron spin resonance spectra: geometrical and electronic structure of endohedral fullerenes Applied Physics A. 66: 265-271. DOI: 10.1007/S003390050665 |
0.379 |
|
| 1997 |
Jones RO, Seifert G. Structure and Bonding in Carbon Clusters C 14 to C 24 : Chains, Rings, Bowls, Plates, and Cages Physical Review Letters. 79: 443-446. DOI: 10.1103/Physrevlett.79.443 |
0.338 |
|
| 1997 |
Domene MC, Fowler PW, Mitchell D, Seifert G, Zerbetto F. Energetics of C20and C22Fullerene and Near-Fullerene Carbon Cages The Journal of Physical Chemistry A. 101: 8339-8344. DOI: 10.1021/Jp971324L |
0.363 |
|
| 1997 |
Bartl A, Dunsch L, Kirbach U, Seifert G. Paramagnetic states of metals and 13C in isolated endohedral fullerenes Synthetic Metals. 86: 2395-2396. DOI: 10.1016/S0379-6779(97)81175-7 |
0.328 |
|
| 1997 |
Münch W, Seifert G, Kreuer KD, Maier J. A quantum molecular dynamics study of the cubic phase of BaTiO3 and BaZrO3 Solid State Ionics. 97: 39-44. DOI: 10.1016/S0167-2738(97)00085-4 |
0.302 |
|
| 1997 |
Seifert G, Fowler P, Mitchell D, Porezag D, Frauenheim T. Boron-nitrogen analogues of the fullerenes: electronic and structural properties Chemical Physics Letters. 268: 352-358. DOI: 10.1016/S0009-2614(97)00214-5 |
0.324 |
|
| 1997 |
Ayuela A, Seifert G, Schmidt R. Electronic structure of Lanthanum-carbon clusters European Physical Journal D. 41: 69-72. DOI: 10.1007/S004600050291 |
0.414 |
|
| 1997 |
Porezag D, Jungnickel G, Frauenheim T, Seifert G, Ayuela A, Pederson M. Theoretical investigations of homo- and heteronuclear bridged fullerene oligomers Applied Physics a: Materials Science & Processing. 64: 321-326. DOI: 10.1007/S003390050485 |
0.344 |
|
| 1996 |
Kaschner R, Schöne M, Seifert G, Pastore G. Ab initiosimulations of liquid systems: concentration dependence of the electric conductivity of NaSn alloys Journal of Physics: Condensed Matter. 8: L653-L657. DOI: 10.1088/0953-8984/8/43/005 |
0.321 |
|
| 1996 |
Seifert G, Vietze K, Schmidt R. Ionization energies of fullerenes - size and charge dependence Journal of Physics B. 29: 5183-5192. DOI: 10.1088/0953-4075/29/21/028 |
0.32 |
|
| 1996 |
Knospe O, Glotov AV, Seifert G, Schmidt R. Theoretical studies of atomic cluster - cluster collisions Journal of Physics B. 29: 5163-5174. DOI: 10.1088/0953-4075/29/21/026 |
0.326 |
|
| 1996 |
Gausa M, Kaschner R, Seifert G, Faehrmann JH, Lutz HO, Meiwes‐Broer K‐. Photoelectron investigations and density functional calculations of anionic Sbn− and Bin− clusters Journal of Chemical Physics. 104: 9719-9728. DOI: 10.1063/1.471733 |
0.33 |
|
| 1996 |
Ayuela A, Fowler PW, Mitchell D, Schmidt R, Seifert G, Zerbetto F. C62: Theoretical Evidence for a Nonclassical Fullerene with a Heptagonal Ring The Journal of Physical Chemistry. 100: 15634-15636. DOI: 10.1021/Jp961306O |
0.319 |
|
| 1996 |
Seifert G, Gutierrez R, Schmidt R. Ionization energies and Coulomb explosion of highly charged C60 Physics Letters A. 211: 357-362. DOI: 10.1016/0375-9601(96)00020-5 |
0.322 |
|
| 1996 |
Seifert G, Porezag D, Frauenheim T. Calculations of molecules, clusters, and solids with a simplified LCAO-DFT-LDA scheme International Journal of Quantum Chemistry. 58: 185-192. DOI: 10.1002/(Sici)1097-461X(1996)58:2<185::Aid-Qua7>3.0.Co;2-U |
0.36 |
|
| 1995 |
Porezag D, Frauenheim T, Köhler T, Seifert G, Kaschner R. Construction of tight-binding-like potentials on the basis of density-functional theory: Application to carbon. Physical Review B. 51: 12947-12957. PMID 9978089 DOI: 10.1103/Physrevb.51.12947 |
0.339 |
|
| 1995 |
Kaschner R, Seifert G, Frauenheim T, Köhler T. Investigation of Crystalline Quartz and Molecular Silicon-Oxygen Compounds with a Simplified LCAO-LDA Method Mrs Proceedings. 408. DOI: 10.1557/Proc-408-521 |
0.334 |
|
| 1995 |
Schone M, Kaschner R, Seifert G. Ab initio simulations of liquid NaSn alloys: Zintl anions and network formation Journal of Physics: Condensed Matter. 7: L19-L26. DOI: 10.1088/0953-8984/7/3/002 |
0.32 |
|
| 1995 |
Kaschner R, Saalmann U, Seifert G, Gausa M. Density functional calculations of structures and ionization energies for heavy group V cluster anions International Journal of Quantum Chemistry. 56: 771-777. DOI: 10.1002/Qua.560560613 |
0.368 |
|
| 1994 |
Seifert G, Schulte J. Molecular dynamics simulations of cluster collisions Computational Materials Science. 2: 585-588. DOI: 10.1016/0927-0256(94)90092-2 |
0.337 |
|
| 1994 |
Gausa M, Kaschner R, Lutz H, Seifert G, Meiwes-Broer K. Photoelectron and theoretical investigations on bismuth and antimony pentamer anions Chemical Physics Letters. 230: 99-102. DOI: 10.1016/0009-2614(94)01138-9 |
0.353 |
|
| 1994 |
Schulte J, Seifert G. DFT-LDA molecular dynamics of molecular collision processes Chemical Physics Letters. 221: 230-236. DOI: 10.1016/0009-2614(94)00258-4 |
0.322 |
|
| 1994 |
Kaschner R, Seifert G. Investigations of hydrogen-bonded systems: Local density approximation and gradient corrections International Journal of Quantum Chemistry. 52: 957-961. DOI: 10.1002/Qua.560520421 |
0.331 |
|
| 1993 |
Seifert G, Jones RO. Structure of phosphorus clusters by simulated annealing European Physical Journal D. 26: 349-351. DOI: 10.1007/Bf01429191 |
0.353 |
|
| 1992 |
Seifert G, Pastore G, Car R. Ab initio molecular dynamics simulation of liquid NaSn alloy Journal of Physics: Condensed Matter. 4: L179-L183. DOI: 10.1088/0953-8984/4/11/002 |
0.326 |
|
| 1991 |
Seifert G, Jones RO. Geometric and electronic structure of clusters European Physical Journal D. 20: 77-80. DOI: 10.1007/Bf01543942 |
0.38 |
|
| 1990 |
Friedrich K, Seifert G, Großmann G. Nuclear magnetic shielding in molecules. The application of GIAO's in LCAO-Xα-calculations Zeitschrift FüR Physik D Atoms, Molecules and Clusters. 17: 45-46. DOI: 10.1007/Bf01437495 |
0.555 |
|
| 1988 |
Eschrig H, Seifert G. Electronic structure analysis of LnBa2Cu3O7−x: Implications on normal and superconductivity Physica C-Superconductivity and Its Applications. 1243-1244. DOI: 10.1016/0921-4534(88)90262-6 |
0.348 |
|
| 1988 |
Knospe O, Schmidt R, Seifert G. Percolation approach for atomic and molecular cluster formation Physics Letters A. 129: 236-240. DOI: 10.1016/0375-9601(88)90357-X |
0.324 |
|
| 1986 |
Seifert G. Electronic structure and magic number of alkaline metal clusters European Physical Journal D. 4: 207-208. DOI: 10.1007/Bf01437359 |
0.323 |
|
| 1985 |
Bieger W, Seifert G, Eschrig H, Grossmann G. LCAO Xα calculations of nuclear magnetic shielding in molecules Chemical Physics Letters. 115: 275-280. DOI: 10.1016/0009-2614(85)80027-0 |
0.568 |
|
| 1979 |
Müller C, Seifert G, Lautenschläger G, Wonn H, Ziesche P, Mrosan E. Band structure and cluster calculations of FeAl systems Physica Status Solidi B-Basic Solid State Physics. 91: 605-613. DOI: 10.1002/Pssb.2220910226 |
0.318 |
|
| 1979 |
THOMAS B, SEIFERT G, GROSSMANN G, SCHELLER D. ChemInform Abstract: NMR SPECTROSCOPIC STUDIES IN NITROGEN-15-LABELED CHLOROCYCLOPHOSPHAZENES Chemischer Informationsdienst. 10. DOI: 10.1002/Chin.197937004 |
0.497 |
|
| 1978 |
Seifert G, Mrosan E, Müller H. Electronic Structure of 4d and 5d Transition Metal Clusters Physica Status Solidi B-Basic Solid State Physics. 89: 553-560. DOI: 10.1002/Pssb.2220890227 |
0.332 |
|
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